CID 149635813

Agbfdvzrsntrhp-uhfffaoysa-n

Structural Information

Molecular Formula
C15H14Cl3F2N3O
SMILES
CC(CC1=C(C=C(C=C1Cl)Cl)Cl)NC(=O)C2=CN(N=C2C(F)F)C
InChI
InChI=1S/C15H14Cl3F2N3O/c1-7(3-9-11(17)4-8(16)5-12(9)18)21-15(24)10-6-23(2)22-13(10)14(19)20/h4-7,14H,3H2,1-2H3,(H,21,24)
InChIKey
AGBFDVZRSNTRHP-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

395.01706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.02434 181.1
[M+Na]+ 418.00628 191.1
[M-H]- 394.00978 181.5
[M+NH4]+ 413.05088 193.2
[M+K]+ 433.98022 183.8
[M+H-H2O]+ 378.01432 172.6
[M+HCOO]- 440.01526 184.6
[M+CH3COO]- 454.03091 221.5
[M+Na-2H]- 415.99173 176.5
[M]+ 395.01651 183.8
[M]- 395.01761 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe