CID 10375144

3-chloro-1-methyl-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H4ClF3N2
SMILES
CN1C(=CC(=N1)Cl)C(F)(F)F
InChI
InChI=1S/C5H4ClF3N2/c1-11-3(5(7,8)9)2-4(6)10-11/h2H,1H3
InChIKey
YUCYYODSLSAZNB-UHFFFAOYSA-N
Compound name
3-chloro-1-methyl-5-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.00151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00879 128.7
[M+Na]+ 206.99073 140.8
[M-H]- 182.99423 126.4
[M+NH4]+ 202.03533 149.0
[M+K]+ 222.96467 137.2
[M+H-H2O]+ 166.99877 120.7
[M+HCOO]- 228.99971 143.1
[M+CH3COO]- 243.01536 178.9
[M+Na-2H]- 204.97618 133.6
[M]+ 184.00096 127.2
[M]- 184.00206 127.2
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