CID 315801

N-(cyclopropylcarbonyl)-2,4,5-trichloroaniline

Structural Information

Molecular Formula
C10H8Cl3NO
SMILES
C1CC1C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C10H8Cl3NO/c11-6-3-8(13)9(4-7(6)12)14-10(15)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKey
WRYSHXUBIDXJPE-UHFFFAOYSA-N
Compound name
N-(2,4,5-trichlorophenyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.96713 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.97441 144.4
[M+Na]+ 285.95635 155.1
[M-H]- 261.95985 149.9
[M+NH4]+ 281.00095 157.7
[M+K]+ 301.93029 148.7
[M+H-H2O]+ 245.96439 140.3
[M+HCOO]- 307.96533 154.7
[M+CH3COO]- 321.98098 198.7
[M+Na-2H]- 283.94180 147.5
[M]+ 262.96658 149.0
[M]- 262.96768 149.0
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