CID 83819786

2-(4-bromo-1h-pyrazol-5-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C5H5BrN2O2
SMILES
C1=NNC(=C1Br)CC(=O)O
InChI
InChI=1S/C5H5BrN2O2/c6-3-2-7-8-4(3)1-5(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKey
NWVCPYSDHQUCPD-UHFFFAOYSA-N
Compound name
2-(4-bromo-1H-pyrazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.95345 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.960726 133.1
[M+Na]+ 226.942668 145.3
[M-H]- 202.946174 134.8
[M+NH4]+ 221.987273 153.6
[M+K]+ 242.916608 134.4
[M+H-H2O]+ 186.950710 132.8
[M+HCOO]- 248.951651 151.5
[M+CH3COO]- 262.967301 175.7
[M+Na-2H]- 224.928116 139.2
[M]+ 203.95290142 150.0
[M]- 203.95399858 150.0
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

No patent data available for this compound.