CID 154090641

Gjwmosxraiiudi-uhfffaoysa-n

Structural Information

Molecular Formula
C9H6F3NO5
SMILES
COC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H6F3NO5/c1-18-7-5(8(14)15)2-4(9(10,11)12)3-6(7)13(16)17/h2-3H,1H3,(H,14,15)
InChIKey
GJWMOSXRAIIUDI-UHFFFAOYSA-N
Compound name
2-methoxy-3-nitro-5-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.0198 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02708 145.9
[M+Na]+ 288.00902 154.8
[M-H]- 264.01252 145.3
[M+NH4]+ 283.05362 161.3
[M+K]+ 303.98296 148.9
[M+H-H2O]+ 248.01706 142.8
[M+HCOO]- 310.01800 165.3
[M+CH3COO]- 324.03365 187.1
[M+Na-2H]- 285.99447 151.4
[M]+ 265.01925 142.7
[M]- 265.02035 142.7
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