CID 2735963

2-amino-4-(trifluoromethyl)thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C5H3F3N2O2S
SMILES
C1(=C(N=C(S1)N)C(F)(F)F)C(=O)O
InChI
InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)13-4(9)10-2/h(H2,9,10)(H,11,12)
InChIKey
NGMYYADEHCNLGO-UHFFFAOYSA-N
Compound name
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

211.98674 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99402 135.6
[M+Na]+ 234.97596 145.5
[M-H]- 210.97946 133.2
[M+NH4]+ 230.02056 154.2
[M+K]+ 250.94990 142.5
[M+H-H2O]+ 194.98400 127.8
[M+HCOO]- 256.98494 149.3
[M+CH3COO]- 271.00059 181.7
[M+Na-2H]- 232.96141 135.9
[M]+ 211.98619 132.1
[M]- 211.98729 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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