CID 54595299

4-azido-1-chloro-2-fluorobenzene

Structural Information

Molecular Formula
C6H3ClFN3
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])F)Cl
InChI
InChI=1S/C6H3ClFN3/c7-5-2-1-4(10-11-9)3-6(5)8/h1-3H
InChIKey
JLTWRMSCJGZQHE-UHFFFAOYSA-N
Compound name
4-azido-1-chloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

170.99995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.00723 129.3
[M+Na]+ 193.98917 138.9
[M-H]- 169.99267 134.5
[M+NH4]+ 189.03377 150.8
[M+K]+ 209.96311 131.4
[M+H-H2O]+ 153.99721 127.9
[M+HCOO]- 215.99815 155.8
[M+CH3COO]- 230.01380 181.2
[M+Na-2H]- 191.97462 139.5
[M]+ 170.99940 127.9
[M]- 171.00050 127.9
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