CID 210806

21672-57-1

Structural Information

Molecular Formula
C12H14ClN3
SMILES
CC1=NN(C(=C1N(C)C)Cl)C2=CC=CC=C2
InChI
InChI=1S/C12H14ClN3/c1-9-11(15(2)3)12(13)16(14-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey
HDIVUCRLJSNZHT-UHFFFAOYSA-N
Compound name
5-chloro-N,N,3-trimethyl-1-phenylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 151.9
[M+Na]+ 258.07685 162.2
[M-H]- 234.08035 157.9
[M+NH4]+ 253.12145 170.5
[M+K]+ 274.05079 158.1
[M+H-H2O]+ 218.08489 143.8
[M+HCOO]- 280.08583 171.9
[M+CH3COO]- 294.10148 196.7
[M+Na-2H]- 256.06230 155.4
[M]+ 235.08708 155.8
[M]- 235.08818 155.8
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.