CID 2776474

4-(1h-pyrazol-1-yl)benzoyl chloride

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C10H7ClN2O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7H
InChIKey
UHDHZXQMHIQHSO-UHFFFAOYSA-N
Compound name
4-pyrazol-1-ylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

206.02469 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 140.7
[M+Na]+ 229.01391 150.6
[M-H]- 205.01741 145.0
[M+NH4]+ 224.05851 159.3
[M+K]+ 244.98785 146.2
[M+H-H2O]+ 189.02195 133.0
[M+HCOO]- 251.02289 159.2
[M+CH3COO]- 265.03854 154.1
[M+Na-2H]- 226.99936 145.8
[M]+ 206.02414 142.5
[M]- 206.02524 142.5
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