CID 592152

2-fluoro-5-(1h-1,2,3,4-tetrazol-5-yl)aniline

Structural Information

Molecular Formula
C7H6FN5
SMILES
C1=CC(=C(C=C1C2=NNN=N2)N)F
InChI
InChI=1S/C7H6FN5/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKey
SPFBMNKRQFPDGH-UHFFFAOYSA-N
Compound name
2-fluoro-5-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

179.06073 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.068006 134.3
[M+Na]+ 202.049948 144.7
[M-H]- 178.053454 133.7
[M+NH4]+ 197.094553 149.7
[M+K]+ 218.023888 140.1
[M+H-H2O]+ 162.057990 124.5
[M+HCOO]- 224.058931 154.4
[M+CH3COO]- 238.074581 146.5
[M+Na-2H]- 200.035396 140.5
[M]+ 179.06018142 130.1
[M]- 179.06127858 130.1
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