CID 18548230

4-(chloromethyl)-1-fluoro-2-nitrobenzene

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
C1=CC(=C(C=C1CCl)[N+](=O)[O-])F
InChI
InChI=1S/C7H5ClFNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2
InChIKey
ZEANBUCPNMDYES-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-fluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

188.99928 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe