CID 43753541

2,4-difluoro-5-nitrobenzyl alcohol

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)F)CO
InChI
InChI=1S/C7H5F2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-2,11H,3H2
InChIKey
VPJNXLNSNZEHSQ-UHFFFAOYSA-N
Compound name
(2,4-difluoro-5-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

189.02374 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.031016 130.6
[M+Na]+ 212.012958 140.1
[M-H]- 188.016464 131.3
[M+NH4]+ 207.057563 149.3
[M+K]+ 227.986898 133.7
[M+H-H2O]+ 172.021000 128.5
[M+HCOO]- 234.021941 153.6
[M+CH3COO]- 248.037591 174.7
[M+Na-2H]- 209.998406 137.1
[M]+ 189.02319142 127.2
[M]- 189.02428858 127.2
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

patents stripe