CID 209327

Pyrazole, 5-chloro-4-(dimethylamino)-1-phenyl-

Structural Information

Molecular Formula
C11H12ClN3
SMILES
CN(C)C1=C(N(N=C1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H12ClN3/c1-14(2)10-8-13-15(11(10)12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
LUEMPWVBDPMIDZ-UHFFFAOYSA-N
Compound name
5-chloro-N,N-dimethyl-1-phenylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07198 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079256 147.3
[M+Na]+ 244.061198 157.1
[M-H]- 220.064704 153.1
[M+NH4]+ 239.105803 166.1
[M+K]+ 260.035138 153.2
[M+H-H2O]+ 204.069240 139.1
[M+HCOO]- 266.070181 167.6
[M+CH3COO]- 280.085831 192.6
[M+Na-2H]- 242.046646 152.1
[M]+ 221.07143142 150.4
[M]- 221.07252858 150.4
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

No patent data available for this compound.