CID 53352178

1000162-36-6

Structural Information

Molecular Formula
C7H5ClFNO3
SMILES
C1=C(C=C(C(=C1CO)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H5ClFNO3/c8-6-2-5(10(12)13)1-4(3-11)7(6)9/h1-2,11H,3H2
InChIKey
QMPDEYTUSNMXFD-UHFFFAOYSA-N
Compound name
(3-chloro-2-fluoro-5-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.9942 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.001476 134.7
[M+Na]+ 227.983418 144.6
[M-H]- 203.986924 136.4
[M+NH4]+ 223.028023 153.6
[M+K]+ 243.957358 136.9
[M+H-H2O]+ 187.991460 134.6
[M+HCOO]- 249.992401 154.3
[M+CH3COO]- 264.008051 175.8
[M+Na-2H]- 225.968866 141.2
[M]+ 204.99365142 134.5
[M]- 204.99474858 134.5
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