CID 53626258

5-(5-cyclopropyl-1h-1,2,3,4-tetrazol-1-yl)-2-fluoroaniline

Structural Information

Molecular Formula
C10H10FN5
SMILES
C1CC1C2=NN=NN2C3=CC(=C(C=C3)F)N
InChI
InChI=1S/C10H10FN5/c11-8-4-3-7(5-9(8)12)16-10(6-1-2-6)13-14-15-16/h3-6H,1-2,12H2
InChIKey
YUWTUZFIZOUQSY-UHFFFAOYSA-N
Compound name
5-(5-cyclopropyltetrazol-1-yl)-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09203 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09931 153.4
[M+Na]+ 242.08125 165.6
[M-H]- 218.08475 157.5
[M+NH4]+ 237.12585 163.2
[M+K]+ 258.05519 158.9
[M+H-H2O]+ 202.08929 142.9
[M+HCOO]- 264.09023 174.5
[M+CH3COO]- 278.10588 164.8
[M+Na-2H]- 240.06670 157.0
[M]+ 219.09148 153.2
[M]- 219.09258 153.2
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

No patent data available for this compound.