CID 61679190

1247241-42-4

Structural Information

Molecular Formula
C7H6FN5
SMILES
C1=CC(=C(C=C1N)F)N2C=NN=N2
InChI
InChI=1S/C7H6FN5/c8-6-3-5(9)1-2-7(6)13-4-10-11-12-13/h1-4H,9H2
InChIKey
KEPYOHGQCARXKC-UHFFFAOYSA-N
Compound name
3-fluoro-4-(tetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.06073 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06801 133.9
[M+Na]+ 202.04995 144.7
[M-H]- 178.05345 134.5
[M+NH4]+ 197.09455 149.9
[M+K]+ 218.02389 140.9
[M+H-H2O]+ 162.05799 123.7
[M+HCOO]- 224.05893 155.4
[M+CH3COO]- 238.07458 146.7
[M+Na-2H]- 200.03540 140.4
[M]+ 179.06018 131.4
[M]- 179.06128 131.4
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