CID 45588257

2,5-difluoro-4-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H3F2NO3
SMILES
C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C=O
InChI
InChI=1S/C7H3F2NO3/c8-5-2-7(10(12)13)6(9)1-4(5)3-11/h1-3H
InChIKey
QMQRAEOCSNLDEY-UHFFFAOYSA-N
Compound name
2,5-difluoro-4-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

187.0081 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01538 129.2
[M+Na]+ 209.99732 139.4
[M-H]- 186.00082 131.3
[M+NH4]+ 205.04192 148.6
[M+K]+ 225.97126 133.4
[M+H-H2O]+ 170.00536 126.9
[M+HCOO]- 232.00630 153.9
[M+CH3COO]- 246.02195 176.5
[M+Na-2H]- 207.98277 136.2
[M]+ 187.00755 126.9
[M]- 187.00865 126.9
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