CID 10888323

2-(azidomethyl)-1,3-difluorobenzene

Structural Information

Molecular Formula
C7H5F2N3
SMILES
C1=CC(=C(C(=C1)F)CN=[N+]=[N-])F
InChI
InChI=1S/C7H5F2N3/c8-6-2-1-3-7(9)5(6)4-11-12-10/h1-3H,4H2
InChIKey
JSZUBPHMRHROHZ-UHFFFAOYSA-N
Compound name
2-(azidomethyl)-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

150
Patents

169.04515 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05243 127.1
[M+Na]+ 192.03437 135.9
[M-H]- 168.03787 131.3
[M+NH4]+ 187.07897 147.9
[M+K]+ 208.00831 129.6
[M+H-H2O]+ 152.04241 123.6
[M+HCOO]- 214.04335 157.0
[M+CH3COO]- 228.05900 183.2
[M+Na-2H]- 190.01982 137.1
[M]+ 169.04460 122.9
[M]- 169.04570 122.9
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