CID 7017724

956440-98-5

Structural Information

Molecular Formula
C11H11Cl2N3
SMILES
CC1=CC(=NN1CC2=C(C=CC=C2Cl)Cl)N
InChI
InChI=1S/C11H11Cl2N3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKey
OXQFQKMBUFYKMI-UHFFFAOYSA-N
Compound name
1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04028 155.4
[M+Na]+ 278.02222 167.0
[M-H]- 254.02572 158.9
[M+NH4]+ 273.06682 172.8
[M+K]+ 293.99616 160.2
[M+H-H2O]+ 238.03026 148.2
[M+HCOO]- 300.03120 169.2
[M+CH3COO]- 314.04685 167.8
[M+Na-2H]- 276.00767 157.3
[M]+ 255.03245 157.8
[M]- 255.03355 157.8
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.