CID 21916207

2-bromo-4-(trifluoromethyl)-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H2BrF3N2O2
SMILES
C1(=C(NC(=N1)Br)C(F)(F)F)C(=O)O
InChI
InChI=1S/C5H2BrF3N2O2/c6-4-10-1(3(12)13)2(11-4)5(7,8)9/h(H,10,11)(H,12,13)
InChIKey
MQAWCQSXJQPSFK-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethyl)-1H-imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.92517 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93245 144.0
[M+Na]+ 280.91439 157.4
[M-H]- 256.91789 142.4
[M+NH4]+ 275.95899 162.5
[M+K]+ 296.88833 145.5
[M+H-H2O]+ 240.92243 141.8
[M+HCOO]- 302.92337 157.8
[M+CH3COO]- 316.93902 184.2
[M+Na-2H]- 278.89984 148.1
[M]+ 257.92462 157.2
[M]- 257.92572 157.2
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

No patent data available for this compound.