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]+ 190.03102 130.6
[M+Na]+ 212.01296 140.1
[M-H]- 188.01646 131.3
[M+NH4]+ 207.05756 149.3
[M+K]+ 227.98690 133.7
[M+H-H2O]+ 172.02100 128.5
[M+HCOO]- 234.02194 153.6
[M+CH3COO]- 248.03759 174.7
[M+Na-2H]- 209.99841 137.1
[M]+ 189.02319 127.2
[M]- 189.02429 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