CID 101488935

1-chloro-4-(fluoromethyl)-2-nitrobenzene

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
C1=CC(=C(C=C1CF)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H5ClFNO2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H,4H2
InChIKey
NJAWXNDIPJWWGF-UHFFFAOYSA-N
Compound name
1-chloro-4-(fluoromethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.99928 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00656 132.5
[M+Na]+ 211.98850 142.0
[M-H]- 187.99200 135.1
[M+NH4]+ 207.03310 152.5
[M+K]+ 227.96244 134.7
[M+H-H2O]+ 171.99654 132.0
[M+HCOO]- 233.99748 153.2
[M+CH3COO]- 248.01313 175.5
[M+Na-2H]- 209.97395 139.9
[M]+ 188.99873 132.3
[M]- 188.99983 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe